Compound Identification
SMILES
OCC[NH+]=C[C@H]1C(=O)N(C2=CC=C(Br)C=C2)C(=O)C2=CC=CC=C12
InChIKey
InChIKey=QPSZAPIEIOIAKU-MRXNPFEDSA-O
Formula
C18H16BrN2O3
Mass
388.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Bromobenzenes Aryl bromides N-substituted carboxylic acid imides Dicarboximides Shiff bases Primary aldimines Alkanolamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Shiff base - Azacycle - Primary aldimine - Aldimine - Carboxylic acid derivative - Alkanolamine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available